[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CCNC(=O)C3=CC=CS3)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CCNC(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H20N4O4S/c1-24-15-6-3-4-7-16(15)25(2)21(24)14(12-22)17(26)13-29-19(27)9-10-23-20(28)18-8-5-11-30-18/h3-8,11H,9-10,13H2,1-2H3,(H,23,28)